SCHEMBL5210690

SCHEMBL5210690

C=CCOc1cc(C2CCCCC2)ccc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACMSD Q8TDX5 2/20 0.47
QDPR P09417 3/20 0.43
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
NUDT1 P36639 1/20 0.38
BACE1 P56817 1/20 0.38
ESR2 Q92731 1/20 0.38
TSHR P16473 1/20 0.38
HIF1A Q16665 1/20 0.37
GAA P10253 2/20 0.36
CA2 P00918 2/20 0.36
NR3C1 P04150 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6722906 0.77 ACMSD (0.48) ACMSDQDPRPDE4APDE4BPDE4C
SCHEMBL2586831 0.76 NPC1 (0.54) NPC1MAPTRAB9ATSHRGAA
SCHEMBL8864091 0.76 QDPR (0.69) ACMSDQDPRMAPTTSHRCA2
SCHEMBL21630425 0.76 GABRA1 (0.53) ACMSDQDPRMAPTHDAC4HDAC2
SCHEMBL5209911 0.76 GABRA1 (0.53) ACMSDQDPRMAPTHDAC4HDAC2
SCHEMBL2095329 0.75 IGF1R (0.47) ACMSDQDPRPDE4APDE4BPDE4C
SCHEMBL16218322 0.75 PDE4A (0.36) PDE4APDE4BPDE4CPDE4DNPC1
SCHEMBL16221628 0.72 PDE4B (0.43) PDE4APDE4BPDE4CPDE4DNPC1
SCHEMBL6707110 0.72 MAOB (0.50) MAPTTSHRGAA
SCHEMBL68815 0.71 QDPR (0.66) ACMSDQDPRHDAC4HDAC2HDAC8

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1194147-B1 ARYLTHIAZOLIDINEDIONE AND ARYLOXAZOLIDINEDIONE DERIVATIVES MERCK & CO INC (US) 2007-01-10 EP disclosed
US-6465497-B2 SUBSTITUTED 5-ARYL-2,4-THIAZOLIDINEDIONES AND OXAZOLIDINEDIONES; AGONISTS OF PPAR (PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR); USEFUL TREATING DIABETES, HYPERGLYCEMIA, HYPERLIPIDEMIA, AND OBESITY MERCK & CO., INC. 2002-10-15 US disclosed
EP-1194147-A4 ARYLTHIAZOLIDINEDIONE AND ARYLOXAZOLIDINEDIONE DERIVATIVES MERCK & CO INC (US) 2002-10-09 EP disclosed
US-6380191-B1 FOR TREATMENT, CONTROL OR PREVENTION OF DIABETES, HYPERGLYCEMIA, HYPERLIPIDEMIA (INCLUDING HYPERCHOLESTEROLEMIA AND HYPERTRIGLYCERIDEMIA), ATHEROSCLEROSIS, OBESITY, VASCULAR RESTENOSIS MERCK & CO. INC. 2002-04-30 US disclosed
EP-1194147-A1 ARYLTHIAZOLIDINEDIONE AND ARYLOXAZOLIDINEDIONE DERIVATIVES Merck & Co., Inc. (US) 2002-04-10 EP disclosed
US-20020037911-A1 Substituted 5-aryl-2,4-thiazolidinediones and oxazolidinediones; agonists of PPAR (Peroxisome proliferator activated receptor); useful treating diabetes, hyperglycemia, hyperlipidemia, and obesity MERCK & CO., INC. 2002-03-28 US disclosed
WO-2000078313-A1 ARYLTHIAZOLIDINEDIONE AND ARYLOXAZOLIDINEDIONE DERIVATIVES MERCK & CO., INC. (US) 2000-12-28 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020037911-A1 Substituted 5-aryl-2,4-thiazolidinediones and oxazolidinediones; agonists of PPAR (Peroxisome proliferator activated receptor); useful treating diabetes, hyperglycemia, hyperlipidemia, and obesity PPARD, PPARA, PPARG ACMSD 3109/4885QDPR 1784/4885PDE4A 542/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.